1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C24H19ClFN3O2S — CID 42839135

About 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 42839135) has the molecular formula C24H19ClFN3O2S and a molecular weight of 467.95 g/mol. Its IUPAC name is 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

• Compound Name: 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• PubChem CID: 42839135
• Molecular Formula: C24H19ClFN3O2S
• Molecular Weight: 467.95 g/mol
• Exact Mass: 467.09
• IUPAC Name: 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1)N1CCSC12C(=O)N(Cc1ccccc1)c1ccc(F)cc12
• InChI: InChI=1S/C24H19ClFN3O2S/c25-17-7-4-8-19(13-17)27-23(31)29-11-12-32-24(29)20-14-18(26)9-10-21(20)28(22(24)30)15-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,27,31)
• InChIKey: BLCPTPMBYNYBKD-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.95
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The IUPAC name of 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 42839135) is 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

What is the SMILES notation for 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The canonical SMILES for 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCSC12C(=O)N(Cc1ccccc1)c1ccc(F)cc12.

What is the InChIKey of 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

The InChIKey is BLCPTPMBYNYBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2S/c25-17-7-4-8-19(13-17)27-23(31)29-11-12-32-24(29)20-14-18(26)9-10-21(20)28(22(24)30)15-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,27,31).

What are the key properties of 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?

1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 467.95 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 42839135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).